101 citations
- Centre National de la Recherche ScientifiqueFR3 papers
- École Nationale Supérieure d'Ingénieurs de CaenFR2 papers
- Kazan Federal UniversityRU2 papers
- Normandie UniversitéFR2 papers
- Université de Caen NormandieFR2 papers
- University of AugsburgDE2 papers
- Chinese Academy of SciencesCN1 paper
- École Polytechnique Fédérale de LausanneCH1 paper
- ETH ZurichCH1 paper
- Fraunhofer Institute for Manufacturing Technology and Advanced MaterialsDE1 paper
- Hamburg University of TechnologyDE1 paper
- Helmholtz-Zentrum HereonDE1 paper
6 papers · 1 filter
Synthesis of Monolayer Ice on a Hydrophobic Metal Surface
Qiaoxiao Zhao, Meiling Xu, Dong Li +10
Understanding water-metal interactions is central to disciplines spanning catalysis, electrochemistry, and atmospheric science. Monolayer ice phases are well established on hydroph…
Ab initio functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate
Virginie de Mestral, Lorenzo Bastonero, Michele Kotiuga +3
We present an ab initio method to calculate the clamped Pockels tensor of ferroelectric materials from density-functional theory, the modern theory of polarization exploiting the e…
Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe2S3) synthesized via an ultra-fast efficient microwave radiation technique
Tristan Barbier, Bhuvanesh Srinivasan, David Berthebaud +7
The current state-of-the-art thermoelectric materials are generally composed of expensive, scarce, and toxic elements. In this respect, copper-based sulfide compounds have emerged…
Unconventional aspects of electronic transport in delafossite oxides
Ramzy Daou, Raymond Frésard, Volker Eyert +2
The electronic transport properties of the delafossite oxides ABO are usually understood in terms of two well separated entities, namely, the triangular A and (BO)…
On the mechanism of gas adsorption for pristine, defective and functionalized graphene
Y. You, J. Deng, X. Tan +5
Defect is no longer deemed an adverse aspect of graphene. Contrarily, it can pave ways of extending applicability of graphene. Here, we discuss the effects of three types of defect…
Electronic structure and crystal phase stability of palladium hydrides
Abdesalem Houari, Samir F. Matar, Volker Eyert
The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local…